(5S)-5-benzylimidazolidin-4-one

C10H12N2O — CID 174267947

IUPAC(5S)-5-benzylimidazolidin-4-one
SMILESO=C1NCN[C@H]1Cc1ccccc1
InChIInChI=1S/C10H12N2O/c13-10-9(11-7-12-10)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m0/s1
InChIKeyVJCFNANHVFYVOX-VIFPVBQESA-N
MW176.22 g/mol
LogP0.27
Rot. Bonds2

About (5S)-5-benzylimidazolidin-4-one

(5S)-5-benzylimidazolidin-4-one (PubChem CID 174267947) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (5S)-5-benzylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-benzylimidazolidin-4-one
PubChem CID174267947
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(5S)-5-benzylimidazolidin-4-one
SMILESO=C1NCN[C@H]1Cc1ccccc1
InChIInChI=1S/C10H12N2O/c13-10-9(11-7-12-10)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m0/s1
InChIKeyVJCFNANHVFYVOX-VIFPVBQESA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzylimidazolidin-4-one?
The IUPAC name of (5S)-5-benzylimidazolidin-4-one (CID 174267947) is (5S)-5-benzylimidazolidin-4-one.
What is the SMILES notation for (5S)-5-benzylimidazolidin-4-one?
The canonical SMILES for (5S)-5-benzylimidazolidin-4-one is O=C1NCN[C@H]1Cc1ccccc1.
What is the InChIKey of (5S)-5-benzylimidazolidin-4-one?
The InChIKey is VJCFNANHVFYVOX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O/c13-10-9(11-7-12-10)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (5S)-5-benzylimidazolidin-4-one?
(5S)-5-benzylimidazolidin-4-one has a molecular weight of 176.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzylimidazolidin-4-one is sourced from PubChem (CID 174267947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).